Resonant ion-pair formation in electron recombination with HF+
(English)Manuscript (Other (popular science, discussion, etc.))
The cross section for resonant ion-pair formation in the collision of low-energy electrons with HF+ is calculated by the solution of the time-dependent Schrödinger equation with multiple coupledstates using a wave packet method. A diabatization procedure is proposed to obtain the electroniccouplings between quasidiabatic potentials of 1Σ+ symmetry for HF. By including these couplingsbetween the neutral states, the cross section for ion-pair formation increases with about two ordersof magnitude compared with the cross section for direct dissociation. Qualitative agreement with themeasured cross section is obtained. The oscillations in the calculated cross section are analyzed. Thecross section for ion-pair formation in electron recombination with DF+ is calculated to determinethe effect of isotopic substitution.
ab initio calculations, autoionisation, configuration interactions, dissociation, hydrogen compounds, ion recombination, molecule-electron collisions, resonant states
Atom and Molecular Physics and Optics Atom and Molecular Physics and Optics
Research subject Chemical Physics
IdentifiersURN: urn:nbn:se:su:diva-27109OAI: oai:DiVA.org:su-27109DiVA: diva2:212659